N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide

C13H19BrN4O2 — CID 114442437

IUPACN-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCCCn1ncc(NCCNC(=O)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H19BrN4O2/c1-2-7-18-13(20)11(14)10(8-17-18)15-5-6-16-12(19)9-3-4-9/h8-9,15H,2-7H2,1H3,(H,16,19)
InChIKeyOKKIRSRLICURTC-UHFFFAOYSA-N
MW343.23 g/mol
LogP1.35
Rot. Bonds7

About N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide

N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide (PubChem CID 114442437) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
PubChem CID114442437
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC NameN-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
SMILESCCCn1ncc(NCCNC(=O)C2CC2)c(Br)c1=O
InChIInChI=1S/C13H19BrN4O2/c1-2-7-18-13(20)11(14)10(8-17-18)15-5-6-16-12(19)9-3-4-9/h8-9,15H,2-7H2,1H3,(H,16,19)
InChIKeyOKKIRSRLICURTC-UHFFFAOYSA-N
XLogP1.35
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N-propylpropanamide
CID 114436551
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
3-[2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 114441187
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113222220
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-propylpyridazin-3-one
CID 106311115
4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one
CID 114445240
4-bromo-5-(hex-5-ynylamino)-2-propylpyridazin-3-one
CID 106214519
4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 106136679
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114434953

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide (CID 114442437) is N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide is CCCn1ncc(NCCNC(=O)C2CC2)c(Br)c1=O.
What is the InChIKey of N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide?
The InChIKey is OKKIRSRLICURTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-2-7-18-13(20)11(14)10(8-17-18)15-5-6-16-12(19)9-3-4-9/h8-9,15H,2-7H2,1H3,(H,16,19).
What are the key properties of N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide?
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide has a molecular weight of 343.23 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 114442437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).